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	hartrees
Energy at 0K	-1709.590132
Energy at 298.15K	-1709.593416
HF Energy	-1709.590132
Nuclear repulsion energy	438.813269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3065	2938	0.03
2	A₁	1325	1270	37.09
3	A₁	769	737	76.84
4	A₁	450	431	24.10
5	A₁	237	227	14.08
6	A₂	174	167	0.00
7	E	3157	3026	0.50
7	E	3157	3026	0.50
8	E	1463	1402	6.43
8	E	1463	1402	6.43
9	E	842	807	95.06
9	E	842	807	95.05
10	E	581	557	164.18
10	E	581	557	164.16
11	E	221	212	4.14
11	E	221	212	4.15
12	E	159	152	0.45
12	E	159	152	0.45

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.257
C2	0.000	0.000	2.102
Cl3	0.000	1.915	-0.464
Cl4	1.658	-0.957	-0.464
Cl5	-1.658	-0.957	-0.464
H6	0.000	-1.024	2.483
H7	0.887	0.512	2.483
H8	-0.887	0.512	2.483

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8443	2.0461	2.0461	2.0461	2.4502	2.4502	2.4502
C2	1.8443		3.2012	3.2012	3.2012	1.0927	1.0927	1.0927
Cl3	2.0461	3.2012		3.3165	3.3165	4.1619	3.3822	3.3822
Cl4	2.0461	3.2012	3.3165		3.3165	3.3822	3.3822	4.1619
Cl5	2.0461	3.2012	3.3165	3.3165		3.3822	4.1619	3.3822
H6	2.4502	1.0927	4.1619	3.3822	3.3822		1.7735	1.7735
H7	2.4502	1.0927	3.3822	3.3822	4.1619	1.7735		1.7735
H8	2.4502	1.0927	3.3822	4.1619	3.3822	1.7735	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.441	Si1	C2	H7	110.441
Si1	C2	H8	110.441	C2	Si1	Cl3	110.638
C2	Si1	Cl4	110.638	C2	Si1	Cl5	110.638
Cl3	Si1	Cl4	108.280	Cl3	Si1	Cl5	108.280
Cl4	Si1	Cl5	108.280	H6	C2	H7	108.484
H6	C2	H8	108.484	H7	C2	H8	108.484

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBE1PBE/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Si	0.936
2	C	-0.995
3	Cl	-0.256
4	Cl	-0.256
5	Cl	-0.256
6	H	0.276
7	H	0.276
8	H	0.276

<r²>	283.717
(<r²>)^1/2	16.844

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBE1PBE/6-311G*

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)